2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine

Name: 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉N₅O₃ — CID 159888694

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine

SMILESOCCN(CCO)CCO.c1ncc2[nH]cnc2n1

InChIInChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9)

InChIKeyNULUIMKBAAYUFX-UHFFFAOYSA-N

MW269.30 g/mol

LogP-1.38

Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine

2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine (PubChem CID 159888694) has the molecular formula C₁₁H₁₉N₅O₃ and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine.

Molecular Properties

Compound Name	2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
PubChem CID	159888694
Molecular Formula	C₁₁H₁₉N₅O₃
Molecular Weight	269.30 g/mol
Exact Mass	269.15
IUPAC Name	2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
SMILES	OCCN(CCO)CCO.c1ncc2[nH]cnc2n1
InChI	InChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9)
InChIKey	NULUIMKBAAYUFX-UHFFFAOYSA-N
XLogP	-1.38
TPSA	118.39 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.30
LogP ≤ 5	-1.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?

The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine (CID 159888694) is 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine.

What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?

The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine is OCCN(CCO)CCO.c1ncc2[nH]cnc2n1.

What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?

The InChIKey is NULUIMKBAAYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9).

What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?

2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine has a molecular weight of 269.30 g/mol, XLogP of -1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine is sourced from PubChem (CID 159888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159888694 — identifiers, structure, computed properties (public domain)

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